N-[3-[[(3-amino-3-phenylpropanoyl)amino]methyl]phenyl]cyclohexanecarboxamide

C23H29N3O2 — CID 119950296

IUPACN-[3-[[(3-amino-3-phenylpropanoyl)amino]methyl]phenyl]cyclohexanecarboxamide
SMILESNC(CC(=O)NCc1cccc(NC(=O)C2CCCCC2)c1)c1ccccc1
InChIInChI=1S/C23H29N3O2/c24-21(18-9-3-1-4-10-18)15-22(27)25-16-17-8-7-13-20(14-17)26-23(28)19-11-5-2-6-12-19/h1,3-4,7-10,13-14,19,21H,2,5-6,11-12,15-16,24H2,(H,25,27)(H,26,28)
InChIKeyGCGVOLORUMRBCV-UHFFFAOYSA-N
MW379.50 g/mol
LogP3.91
Rot. Bonds7

About N-[3-[[(3-amino-3-phenylpropanoyl)amino]methyl]phenyl]cyclohexanecarboxamide

N-[3-[[(3-amino-3-phenylpropanoyl)amino]methyl]phenyl]cyclohexanecarboxamide (PubChem CID 119950296) has the molecular formula C23H29N3O2 and a molecular weight of 379.50 g/mol. Its IUPAC name is N-[3-[[(3-amino-3-phenylpropanoyl)amino]methyl]phenyl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[3-[[(3-amino-3-phenylpropanoyl)amino]methyl]phenyl]cyclohexanecarboxamide
PubChem CID119950296
Molecular FormulaC23H29N3O2
Molecular Weight379.50 g/mol
Exact Mass379.23
IUPAC NameN-[3-[[(3-amino-3-phenylpropanoyl)amino]methyl]phenyl]cyclohexanecarboxamide
SMILESNC(CC(=O)NCc1cccc(NC(=O)C2CCCCC2)c1)c1ccccc1
InChIInChI=1S/C23H29N3O2/c24-21(18-9-3-1-4-10-18)15-22(27)25-16-17-8-7-13-20(14-17)26-23(28)19-11-5-2-6-12-19/h1,3-4,7-10,13-14,19,21H,2,5-6,11-12,15-16,24H2,(H,25,27)(H,26,28)
InChIKeyGCGVOLORUMRBCV-UHFFFAOYSA-N
XLogP3.91
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.50
LogP ≤ 53.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze N-[3-[[(3-amino-3-phenylpropanoyl)amino]methyl]phenyl]cyclohexanecarboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[3-[[(2-amino-2-phenylacetyl)amino]methyl]phenyl]cyclopentanecarboxamide
CID 119299327
N-[3-[(3,3-diphenylpropanoylamino)methyl]phenyl]cyclopropanecarboxamide
CID 29303854
N-[3-[[[2-(4-aminophenyl)acetyl]amino]methyl]phenyl]cyclohexanecarboxamide;hydrochloride
CID 119738924
N-[3-[[[(2S)-2-aminopropanoyl]amino]methyl]phenyl]cyclobutanecarboxamide
CID 119282339
2-chloro-N-[3-[[3-(cyclopropanecarbonylamino)phenyl]methylamino]-3-oxo-1-phenylpropyl]benzamide
CID 24566967
3-amino-N-[[3-(hydroxymethyl)phenyl]methyl]-3-phenylpropanamide
CID 103823770
N-[3-[(2-aminopentanoylamino)methyl]phenyl]cyclopentanecarboxamide
CID 119299331
N-[3-[[[N-(3-hydroxy-2-phenylpropyl)-N'-methylcarbamimidoyl]amino]methyl]phenyl]cyclohexanecarboxamide;hydroiodide
CID 109409269
N-[3-[[(2-amino-3-methylpentanoyl)amino]methyl]phenyl]cyclopentanecarboxamide
CID 119741621
N-[3-[[(2-amino-3-methoxypropanoyl)amino]methyl]phenyl]cyclobutanecarboxamide;hydrochloride
CID 120985544
N-[3-(1-aminoethyl)phenyl]cyclohexanecarboxamide
CID 16796065
N-[3-(1-aminoethyl)phenyl]cyclopentanecarboxamide
CID 16787772

Frequently Asked Questions

What is the IUPAC name of N-[3-[[(3-amino-3-phenylpropanoyl)amino]methyl]phenyl]cyclohexanecarboxamide?
The IUPAC name of N-[3-[[(3-amino-3-phenylpropanoyl)amino]methyl]phenyl]cyclohexanecarboxamide (CID 119950296) is N-[3-[[(3-amino-3-phenylpropanoyl)amino]methyl]phenyl]cyclohexanecarboxamide.
What is the SMILES notation for N-[3-[[(3-amino-3-phenylpropanoyl)amino]methyl]phenyl]cyclohexanecarboxamide?
The canonical SMILES for N-[3-[[(3-amino-3-phenylpropanoyl)amino]methyl]phenyl]cyclohexanecarboxamide is NC(CC(=O)NCc1cccc(NC(=O)C2CCCCC2)c1)c1ccccc1.
What is the InChIKey of N-[3-[[(3-amino-3-phenylpropanoyl)amino]methyl]phenyl]cyclohexanecarboxamide?
The InChIKey is GCGVOLORUMRBCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O2/c24-21(18-9-3-1-4-10-18)15-22(27)25-16-17-8-7-13-20(14-17)26-23(28)19-11-5-2-6-12-19/h1,3-4,7-10,13-14,19,21H,2,5-6,11-12,15-16,24H2,(H,25,27)(H,26,28).
What are the key properties of N-[3-[[(3-amino-3-phenylpropanoyl)amino]methyl]phenyl]cyclohexanecarboxamide?
N-[3-[[(3-amino-3-phenylpropanoyl)amino]methyl]phenyl]cyclohexanecarboxamide has a molecular weight of 379.50 g/mol, XLogP of 3.91, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[(3-amino-3-phenylpropanoyl)amino]methyl]phenyl]cyclohexanecarboxamide is sourced from PubChem (CID 119950296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).